2,4,4,5,5,5-hexafluoro-N-methyl-N-(1,1,2,2,2-pentafluoroethyl)pent-2-en-3-amine

C8H6F11N — CID 160982574

IUPAC2,4,4,5,5,5-hexafluoro-N-methyl-N-(1,1,2,2,2-pentafluoroethyl)pent-2-en-3-amine
SMILESCC(F)=C(N(C)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H6F11N/c1-3(9)4(5(10,11)6(12,13)14)20(2)8(18,19)7(15,16)17/h1-2H3
InChIKeyFRGDKOKUQGHWJZ-UHFFFAOYSA-N
MW325.12 g/mol
LogP4.47
Rot. Bonds3

About 2,4,4,5,5,5-hexafluoro-N-methyl-N-(1,1,2,2,2-pentafluoroethyl)pent-2-en-3-amine

2,4,4,5,5,5-hexafluoro-N-methyl-N-(1,1,2,2,2-pentafluoroethyl)pent-2-en-3-amine (PubChem CID 160982574) has the molecular formula C8H6F11N and a molecular weight of 325.12 g/mol. Its IUPAC name is 2,4,4,5,5,5-hexafluoro-N-methyl-N-(1,1,2,2,2-pentafluoroethyl)pent-2-en-3-amine.

Molecular Properties

Compound Name2,4,4,5,5,5-hexafluoro-N-methyl-N-(1,1,2,2,2-pentafluoroethyl)pent-2-en-3-amine
PubChem CID160982574
Molecular FormulaC8H6F11N
Molecular Weight325.12 g/mol
Exact Mass325.03
IUPAC Name2,4,4,5,5,5-hexafluoro-N-methyl-N-(1,1,2,2,2-pentafluoroethyl)pent-2-en-3-amine
SMILESCC(F)=C(N(C)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H6F11N/c1-3(9)4(5(10,11)6(12,13)14)20(2)8(18,19)7(15,16)17/h1-2H3
InChIKeyFRGDKOKUQGHWJZ-UHFFFAOYSA-N
XLogP4.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.12
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-Dimethyl-2-(trifluoromethyl)-1,1,1,4,4,5,5,5-octafluoro-2-pentene-3-amine
CID 12751230
1,1,1,4,5,5,5-heptafluoro-N,N-dimethyl-2,4-bis(trifluoromethyl)pent-2-en-3-amine
CID 19761935
N,N-diethyl-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-amine
CID 19761981
N,N-diethyl-1,1,1-trifluoro-2-(trifluoromethyl)pent-2-en-3-amine
CID 132234556
(Z)-1,1,1,4,4,5,5,5-octafluoro-2-methyl-N-(1,1,2,2,2-pentafluoroethyl)-N-(trifluoromethyl)pent-2-en-3-amine
CID 163983716
4,4,5,5,5-pentafluoro-N,2-dimethyl-N-(trifluoromethyl)pent-2-en-3-amine
CID 160565376
4,4,5,5,5-pentafluoro-N,2-dimethyl-N-(1,1,2,2,2-pentafluoroethyl)pent-2-en-3-amine
CID 160565377
2,4,4,5,5,5-hexafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)pent-2-en-3-amine
CID 160565378
4,4,5,5,5-pentafluoro-2-methyl-N,N-bis(1,1,2,2,2-pentafluoroethyl)pent-2-en-3-amine
CID 160565381
2,4,4,5,5,5-hexafluoro-N,N-bis(1,1,2,2,3,3,3-heptafluoropropyl)pent-2-en-3-amine
CID 160565383
4,4,5,5,5-pentafluoro-N,N-bis(1,1,2,2,3,3,3-heptafluoropropyl)-2-methylpent-2-en-3-amine
CID 160565387
2,4,4,5,5,5-hexafluoro-N-methyl-N-(trifluoromethyl)pent-2-en-3-amine
CID 160982573

Frequently Asked Questions

What is the IUPAC name of 2,4,4,5,5,5-hexafluoro-N-methyl-N-(1,1,2,2,2-pentafluoroethyl)pent-2-en-3-amine?
The IUPAC name of 2,4,4,5,5,5-hexafluoro-N-methyl-N-(1,1,2,2,2-pentafluoroethyl)pent-2-en-3-amine (CID 160982574) is 2,4,4,5,5,5-hexafluoro-N-methyl-N-(1,1,2,2,2-pentafluoroethyl)pent-2-en-3-amine.
What is the SMILES notation for 2,4,4,5,5,5-hexafluoro-N-methyl-N-(1,1,2,2,2-pentafluoroethyl)pent-2-en-3-amine?
The canonical SMILES for 2,4,4,5,5,5-hexafluoro-N-methyl-N-(1,1,2,2,2-pentafluoroethyl)pent-2-en-3-amine is CC(F)=C(N(C)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,4,4,5,5,5-hexafluoro-N-methyl-N-(1,1,2,2,2-pentafluoroethyl)pent-2-en-3-amine?
The InChIKey is FRGDKOKUQGHWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F11N/c1-3(9)4(5(10,11)6(12,13)14)20(2)8(18,19)7(15,16)17/h1-2H3.
What are the key properties of 2,4,4,5,5,5-hexafluoro-N-methyl-N-(1,1,2,2,2-pentafluoroethyl)pent-2-en-3-amine?
2,4,4,5,5,5-hexafluoro-N-methyl-N-(1,1,2,2,2-pentafluoroethyl)pent-2-en-3-amine has a molecular weight of 325.12 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4,5,5,5-hexafluoro-N-methyl-N-(1,1,2,2,2-pentafluoroethyl)pent-2-en-3-amine is sourced from PubChem (CID 160982574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).